SCHEMBL6877322

SCHEMBL6877322

COc1ccc(CN(OC)C(=O)/C=C(\O)C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BCL2A1 Q16548 3/20 0.43
LDHA P00338 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.42
CTBP2 P56545 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
TAS2R14 Q9NYV8 1/20 0.42
APLNR P35414 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
SNCA P37840 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6877326 1.00 ACHE (0.45) ACHEALDH1A1HTTSMN1; SMN2BCL2A1
SCHEMBL6076512 0.89 ALDH1A1 (0.45) ACHEALDH1A1HTTSMN1; SMN2BCL2A1
SCHEMBL6076507 0.89 ALDH1A1 (0.45) ACHEALDH1A1HTTSMN1; SMN2BCL2A1
SCHEMBL6879062 0.87 CTBP2 (0.36) ALDH1A1TRPM8CTBP2TAS2R14
SCHEMBL6879068 0.87 CTBP2 (0.36) ALDH1A1TRPM8CTBP2TAS2R14
SCHEMBL6872168 0.87 NPC1 (0.40) ACHETRPM8
SCHEMBL6872170 0.87 NPC1 (0.40) ACHETRPM8
SCHEMBL3681999 0.86 TDP1 (0.39) ALDH1A1BCL2A1CTBP2TDP1TAS2R14
SCHEMBL6876913 0.86 BCL2A1 (0.43) ALDH1A1HTTBCL2A1CTBP2
SCHEMBL3682001 0.86 TDP1 (0.39) ALDH1A1BCL2A1CTBP2TDP1TAS2R14

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1467695-A2 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2004-10-20 EP disclosed
US-6777440-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-08-17 US disclosed
US-20030176495-A1 HIV Integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-09-18 US disclosed
WO-2003049690-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030176495-A1 HIV Integrase inhibitors MAPT, RIF1, HPRT1 ACHE 3434/4885ALDH1A1 976/4885HTT 3436/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.